Hydrogenic donor impurity states and intersubband optical absorption spectra of monolayer transition metal dichalcogenides in dielectric environments

The hydrogenic donor impurity states and intersubband optical absorption spectra in monolayer transition metal dichalcogenides(ML TMDs) under dielectric environments are theoretically investigated based on a two-dimensional(2D)nonorthogonal associated Laguerre basis set. The 2D quantum confinement effect together with the strongly reduced dielectric screening results in the strong attractive Coulomb potential between electron and donor ion, with exceptionally large impurity binding energy and huge intersubband oscillator strength. These lead to the strong interaction of the electron with light in a 2D regime. The intersubband optical absorption spectra exhibit strong absorption lines of the non-hydrogenic Rydberg series in the mid-infrared range of light. The strength of the Coulomb potential can be controlled by changing the dielectric environment. The electron affinity difference leads to charge transfer between ML TMD and the dielectric environment, generating the polarization-electric field in ML TMD accompanied by weakening the Coulomb interaction strength. The larger the dielectric constant of the dielectric environment, the more the charge transfer is, accompanied by the larger polarization-electric field and the stronger dielectric screening. The dielectric environment is shown to provide an efficient tool to tune the wavelength and output of the mid-infrared intersubband devices based on ML TMDs.

Double Differential Cross-Section for the Ionization of Hydrogenic 2S Metastable State

Double differential cross-sections of first Born estimation for ionization of hydrogenic 2S state by electrons are assessed for various kinematics situations in the asymmetric coplanar geometry. A final state wave function of multiple scattering theory is followed in this study. The present outcomes are compared with those of hydrogenic ground state, 2P state and ground state experimental results. Obtained findings show a good qualitative agreement with existing results.

The binding energy of a hydrogenic impurity in self-assembled double quantum dots

The binding energy of a hydrogenic impurity in self-assembled double quantum dots is calculated via the finitedifference method. The variation in binding energy with donor position, structure parameters and external magnetic field is studied in detail. The results found are： （i） the binding energy has a complex behaviour due to coupling between the two dots; （ii） the binding energy is much larger when the donor is placed in the centre of one dot than in other positions; and （iii） the external magnetic field has different effects on the binding energy for different quantum-dot sizes or lateral confinements.

Effect of pH and temperature on acidogenic and hydrogenic activities of glucose-degrading bio-granules

Series batch experiments were made to investigate the influences of pH and temperature on the activity of acidogenus and acidogenus in glucose-degrading bacteria cultured in an UASB(up-flow anaerobic sludge blanket) reactor for glucose fermentation and hydrogen production. The bacteria exhibited different capability to recover to produce hydrogen at different initial pH and temperature. Hydrogen production, VFA production, COD removal and COD balance were measured at different pH and 20, 37 ℃ respectively with the same glucose and VSS in vials. Results showed that there are different influences on the activity of acidogenic bacteria at varied pH and result in a variety of amount of hydrogen production, specific hydrogen production and VFA production, etc. Through the present study, when nonmalized to the weight of VSS, a maximal biogas and hydrogen production of 1 717 1 ml/g and 870 0 ml/g were obtained when pH equals 9 at 37 ℃ and 679 00 ml/g of biogas, 246 35 ml/g of hydrogen were also got when pH equals 5 at 20 ℃ respectively. The maximal specific hydrogen production (SHA) was 116 56 ml/h,g around 8 of pH value at 37 ℃ and 6 46 ml/h,g around 4 of pH value at 20 ℃, which were obtained by calculating the slope of the accumulated hydrogen gas via time. Butyric acid fermentation was important for hydrogen production. Large quantity of unknown COD was found in the vials when a small quantity of bio-gas was produced, but relative less unknown COD was determined when there was large quantity of hydrogen produced. This revealed a better engineering foreground for application of hydrogen bio-production.

Spectra of Hydrogenic Donor States in Quantum-Dot Quantum Well Structures

The series expansion approach has been employed to calculate the exact energy spectra of hydrogenic donor states in a quantum-dot quantum well(QDQW). The result shows that the hydrogenic donor energy levels are very different from those in a quantum dot. In a QDQW, the donor energy levels depend on not only the radius of core and the barrier, but also the numbers of small wells. When there exist two small wells outside the core, the “band gap”exists between donor levels, and its width depends on the depth of the small wells.

Understanding the oxidation chemistry of Ti_(3)C_(2)T_(x)(MXene)sheets and their catalytic performances

Transition metal carbides and nitrides(MXenes)nanosheets are attractive two-dimensional(2D)materials,but they suffer from oxidation/degradation issues during storage and/or applications due to their sensitivity to water and oxygen.Despite the great research progress,the exact oxidation kinetics of Ti_(3)C_(2)T_(x)(MXene)and their final products after oxidation are not fully understood.Herein,we systematically tracked the oxidation process of few-layer Ti_(3)C_(2)T_(x) nanosheets in an aqueous solution at room temperature over several weeks.We also studied the oxidation effects on the electrocatalytic properties of Ti_(3)C_(2)T_(x) for hydrogen evolution reaction and found that the overpotential to achieve a current density of 10 mA cm^(-2)increases from 0.435 to 0.877 V after three weeks of degradation,followed by improvement to stabilized values of around 0.40 V after eight weeks.These results suggest that severely oxidized MXene could be a promising candidate for designing efficient catalysts.According to our detailed experimental characterization and theoretical calculations,unlike previous studies,black titanium oxide is formed as the final product in addition to white Ti(IV)oxide and disordered carbons after the complete oxidation of Ti_(3)C_(2)T_(x).This work presents significant advancements in better understanding of 2D Ti_(3)C_(2)T_(x)(MXene)oxidation and enhances the prospects of this material for various applications.

Recent advances and future prospects on Ni_(3)S_(2)-Based electrocatalysts for efficient alkaline water electrolysis

Green hydrogen(H_(2))produced by renewable energy powered alkaline water electrolysis is a promising alternative to fossil fuels due to its high energy density with zero-carbon emissions.However,efficient and economic H_(2) production by alkaline water electrolysis is hindered by the sluggish hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).Therefore,it is imperative to design and fabricate high-active and low-cost non-precious metal catalysts to improve the HER and OER performance,which affects the energy efficiency of alkaline water electrolysis.Ni_(3)S_(2) with the heazlewoodite structure is a potential electrocatalyst with near-metal conductivity due to the Ni–Ni metal network.Here,the review comprehensively presents the recent progress of Ni_(3)S_(2)-based electrocatalysts for alkaline water electrocatalysis.Herein,the HER and OER mechanisms,performance evaluation criteria,preparation methods,and strategies for performance improvement of Ni_(3)S_(2)-based electrocatalysts are discussed.The challenges and perspectives are also analyzed.

THE SEQUENCE OF HYDROGENIC SEDIMENTS-PALEOSOLS IN THE LOESS PLATEAU AND ITS ADJACENT REGIONS OF CHINA

Changes in global climate have a positive effect on the changes in hydrologic cycle, and leave their traces in the cycles of hydrogenic sediments and geomorphic evolutions. It is possible to explain the law of the climate change and tectonic movement in the course of the environmental evolutions during the Quaternary by way of identifying the different cycles and ages of hydrogenic sediments in each geomorphic period. This study is very much

Magnetic field and temperature dependence of the properties of the ground state of the strong-coupling bound magnetopolaron in quantum rods with hydrogenic impurity

Magnetic field and temperature dependence of the properties of the ground state of the strong-coupling bound magnetopolaron in quantum rods （QRs） with hydrogenic impurity is studied by means of the Huybrechts- Lee-Low-Pines transformation method and the quantum statistical theory. The expressions for the ground-state energy and the mean number ofphonons of the magnetopolaron are derived. Results of the numerical calculations show that the bound state of the magnetopolaron cannot be formed when the value of the aspect ratio of the QR, the dielectric constant ratio, the electron-phonon coupling strength or the temperature parameter is small. The larger the deviation of the value of aspect ratio e′ from 1 is, the more it is unfavorable to the stability of the ground state of the magnetopolaron. When the magnetopolaron is in the bound state, the absolute value of its ground-state energy and its mean number ofphonons increase with an increase of the dielectric constant ratio and confinement strength of QRs, but decrease with an increase in the cyclotron frequency of the external magnetic field and the temperature. The absolute value of the ground-state energy and the mean number of phonons of the magnetopolaron decrease with decreasing e′ when e′ 〈 1, but decrease with increasing e′ when e′ 〉 1. They get the maximum value at e′=1.

Electron energy states in a two-dimensional GaAs quantum ring with hydrogenic donor impurity in the presence of magnetic field

Using the finite element method, we investigate the lowest and first few excited state energies in a two- dimensional GaAs quantum ring （QR） with a hydrogenic donor impurity and effective mass approximation under a uniform magnetic field perpendicular to the ring plane. We study in detail the dependence of the energy spectrum with different angular momentum on the inner radius, the outer radius and width of the QR, the magnetic field and impurity position. The results reveal that the electron energies increase with the inner radius while decrease with the outer radius and width of the QR; for a fixed ring, the magnetic field induces the increase of the electron energies. Moreover, the existence of impurity reduces energy levels, and the energy levels depend highly on the impurity position, which decreases as the impurity is far away from the center of the QR. Also, the dependence of the angular momentum on the energy spectrum is analyzed in detail.

Giant non-linear susceptibility of hydrogenic donors in silicon and germanium

Implicit summation is a technique for the conversion of sums over intermediate states in multiphoton absorption and the high-order susceptibility in hydrogen into simple integrals.Here,we derive the equivalent technique for hydrogenic impurities in multi-valley semiconductors.While the absorption has useful applications,it is primarily a loss process;conversely,the non-linear susceptibility is a crucial parameter for active photonic devices.For Si:P,we predict the hyperpolarizability ranges from χ^((3))/n_(3D)=2.9 to 580×10^(−38 )m^(5)/V^(2) depending on the frequency,even while avoiding resonance.Using samples of a reasonable density,n3D,and thickness,L,to produce thirdharmonic generation at 9 THz,a frequency that is difficult to produce with existing solid-state sources,we predict that χ^((3)) should exceed that of bulk InSb and χ^((3))L should exceed that of graphene and resonantly enhanced quantum wells.

Review on the design of high-strength and hydrogen-embrittlement-resistant steels

Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel materials.Simultaneously,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering challenge.Developing high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical implications.This ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel sector.Based on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen traps.It also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance.

Hydrogen sulfide responsive nanoplatforms: Novel gas responsive drug delivery carriers for biomedical applications

Hydrogen sulfide(H_(2)S)is a toxic,essential gas used in various biological and physical processes and has been the subject of many targeted studies on its role as a new gas transmitter.These studies have mainly focused on the production and pharmacological side effects caused by H_(2)S.Therefore,effective strategies to remove H_(2)S has become a key research topic.Furthermore,the development of novel nanoplatforms has provided new tools for the targeted removal of H_(2)S.This paper was performed to review the association between H_(2)S anddisease,relatedH_(2)S inhibitory drugs,aswell as H_(2)S responsive nanoplatforms(HRNs).This review first analyzed the role of H_(2)S in multiple tissues and conditions.Second,common drugs used to eliminate H_(2)S,as well as their potential for combination with anticancer agents,were summarized.Not only the existing studies on HRNs,but also the inhibition H_(2)S combined with different therapeutic methods were both sorted out in this review.Furthermore,this review provided in-depth analysis of the potential of HRNs about treatment or detection in detail.Finally,potential challenges of HRNs were proposed.This study demonstrates the excellent potential of HRNs for biomedical applications.

Tandem hydroalkylation and deoxygenation of lignin-derived phenolics to synthesize high-density fuels

Lignin is the most abundant naturally phenolic biomass,and the synthesis of high-performance renewable fuel from lignin has attracted significant attention.We propose the efficient synthesis of high-density fuels using simulated lignin cracked oil in tandem with hydroalkylation and deoxygenation reactions.First,we investigated the reaction pathway for the hydroalkylation of phenol,which competes with the hydrodeoxygenation form cyclohexane.And then,we investigated the effects of metal catalyst types,the loading amount of metallic,acid dosage,and reactant ratio on the reaction results.The phenol hydroalkylation and hydrodeoxygenation were balanced when 180℃ and 5 MPa H_(2)with the alkanes yield of 95%.By extending the substrate to other lignin-derived phenolics and simulated lignin cracked oil,we obtained the polycyclic alkane fuel with high density of 0.918 g·ml^(-1)and calorific value of41.2 MJ·L^(-1).Besides,the fuel has good low-temperature properties(viscosity of 9.3 mm^(2)·s^(-1)at 20℃ and freezing point below-55℃),which is expected to be used as jet fuel.This work provides a promising way for the easy and green production of high-density fuel directly from real lignin oil.

Insights on advanced substrates for controllable fabrication of photoanodes toward efficient and stable photoelectrochemical water splitting

Conversion of solar energy into H2 by photoelectrochemical(PEC)water splitting is recognized as an ideal way to address the growing energy crisis and environmental issues.In a typical PEC cell,the construction of photoanodes is crucial to guarantee the high efficiency and stability of PEC reactions,which fundamentally rely on rationally designed semiconductors(as the active materials)and substrates(as the current collectors).In this review work,we start with a brief introduction of the roles of substrates in the PEC process.Then,we provide a systematic overview of representative strategies for the controlled fabrication of photoanodes on rationally designed substrates,including conductive glass,metal,sapphire,silicon,silicon carbide,and flexible substrates.Finally,some prospects concerning the challenges and research directions in this area are proposed.

Deep eutectic solvents:Green multi-task agents for sustainable super green hydrogen technologies

While reliance on renewable energy resources has become a reality, there is still a need to deploy greener and more sustainable methods in order to achieve sustainable development goals. Indeed, green hydrogen is currently believed to be a reliable solution for global warming and the pollution challenges arising from fossil fuels, making it the resilient fuel of the future. However, the sustainability of green hydrogen technologies is yet to be achieved. In this context, generation of green hydrogen with the aid of deep eutectic solvents(DESs) as green mixtures has been demonstrated as a promising research area. This systematic review article covers green hydrogen generation through water splitting and biomass fermentation when DESs are utilized within the generation process. It also discusses the incorporation of DESs in fuel cell technologies. DESs can play a variety of roles such as solvent, electrolyte, or precursor;colloidal suspension and reaction medium;galvanic replacement, shape-controlling, decoration, or extractive agent;finally oxidant. These roles are relevant to several methods of green hydrogen generation, including electrocatalysis, photocatalysis, and fermentation. As such, it is of utmost importance to screen potential DES formulations and determine how they can function in and contribute throughout the green hydrogen mobility stages. The realization of super green hydrogen generation stands out as a pivotal milestone in our journey towards achieving a more sustainable form of development;DESs have great potential in making this milestone achievable. Overall, incorporating DESs in hydrogen generation constitutes a promising research area and offers potential scalability for green hydrogen production, storage,transport, and utilization.

Coke behavior with H_(2)O in a hydrogen-enriched blast furnace:A review

Hydrogen-enriched blast furnace ironmaking has become an essential route to reduce CO_(2)emissions in the ironmaking process.However,hydrogen-enriched reduction produces large amounts of H_(2)O,which places new demands on coke quality in a blast furnace.In a hydrogen-rich blast furnace,the presence of H_(2)O promotes the solution loss reaction.This result improves the reactivity of coke,which is 20%-30%higher in a pure H_(2)O atmosphere than in a pure CO_(2)atmosphere.The activation energy range is 110-300 kJ/mol between coke and CO_(2)and 80-170 kJ/mol between coke and H_(2)O.CO_(2)and H_(2)O are shown to have different effects on coke degradation mechanisms.This review provides a comprehensive overview of the effect of H_(2)O on the structure and properties of coke.By exploring the interactions between H_(2)O and coke,several unresolved issues in the field requiring further research were identified.This review aims to provide valuable insights into coke behavior in hydrogen-rich environments and promote the further development of hydrogen-rich blast furnace ironmaking processes.

Single-atom Pt on carbon nanotubes for selective electrocatalysis

Utilizing supported single atoms as catalysts presents an opportunity to reduce the usage of critical raw materials such as platinum,which are essential for electrochemical reactions such as hydrogen oxidation reaction(HOR).Herein,we describe the synthesis of a Pt single electrocatalyst inside single-walled carbon nanotubes(SWCNTs)via a redox reaction.Characterizations via electron microscopy,X-ray photoelectron microscopy,and X-ray absorption spectroscopy show the single-atom nature of the Pt.The electrochemical behavior of the sample to hydrogen and oxygen was investigated using the advanced floating electrode technique,which minimizes mass transport limitations and gives a thorough insight into the activity of the electrocatalyst.The single-atom samples showed higher HOR activity than state-of-the-art 30%Pt/C while almost no oxygen reduction reaction activity in the proton exchange membrane fuel cell operating range.The selective activity toward HOR arose as the main fingerprint of the catalyst confinement in the SWCNTs.

Asymmetric orbital hybridization in Zn-doped antiperovskite Cu_(1-x)Zn_(x)NMn_(3)enables highly efficient electrocatalytic hydrogen production

Rational design of efficient and robust earth-abundant alkaline hydrogen evolution reaction(HER)catalysts is a key factor for developing energy conversion technologies.Currently,antiperovskite nitride CuNMn_(3)has garnered significant interest due to its remarkable properties such as negative/zero thermal expansion and magnetocaloric effects.However,when utilized as hydrogen evolution catalysts,it encounters large challenge resulting from excessively strong/weak interactions with adsorbed H on Mn/Cu active sites,which leads to low HER activity.In this study,we introduce an asymmetric orbital hybridization strategy in Zn-doped Cu_(1-x)Zn_(x)NMn_(3)by leveraging the localization of Zn electronic states to reconfigure the electronic structures of Cu and Mn,thereby reducing the energy barrier for water dissociation and optimizing Cu and Mn active sites for hydrogen adsorption and H_(2)production.Electrochemical evaluations reveal that Cu_(0.85)Zn_(0.15)NMn_(3)with x=0.15 demonstrates exceptional electrocatalytic activity in alkaline electrolytes.A low overpotential of 52 mV at 10 mA cm^(-2)and outstanding stability over a 150-h test period are achieved,surpassing commercial Pt/C.This research offers a novel strategy for enhancing HER performance by modulating asymmetric hybridization of electron orbitals between multiple metal atoms within a material structure.

MXenes and heterostructures-based electrocatalysts for hydrogen evolution reaction:Recent developments and future outlook

The increasing focus on electrocatalysis for sustainable hydrogen(H_(2))production has prompted significant interest in MXenes,a class of two-dimensional(2D)materials comprising metal carbides,carbonitrides,and nitrides.These materials exhibit intriguing chemical and physical properties,including excellent electrical conductivity and a large surface area,making them attractive candidates for the hydrogen evolution reaction(HER).This scientific review explores recent advancements in MXene-based electrocatalysts for HER kinetics.It discusses various compositions,functionalities,and explicit design principles while providing a comprehensive overview of synthesis methods,exceptional properties,and electro-catalytic approaches for H_(2) production via electrochemical reactions.Furthermore,challenges and future prospects in designing MXenes-based electrocatalysts with enhanced kinetics are highlighted,emphasizing the potential of incorporating different metals to expand the scope of electrochemical reactions.This review suggests possible efforts for developing advanced MXenes-based electrocatalysts,particularly for efficient H_(2) generation through electrochemical water-splitting reactions..